RFI
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C14 | C15 | sing | 1.54Å | 1.52Å | |
| C14 | N13 | sing | 1.47Å | 1.42Å | |
| C15 | O16 | sing | 1.46Å | 1.42Å | |
| C11 | C12 | sing | 1.55Å | 1.60Å | |
| C11 | C10 | sing | 1.55Å | 1.32Å | |
| C12 | N13 | sing | 1.46Å | 1.48Å | |
| C12 | C19 | sing | 1.54Å | 1.34Å | |
| N13 | C17 | sing | 1.34Å | 1.49Å | |
| O16 | C17 | sing | 1.34Å | 1.47Å | |
| C10 | N09 | sing | 1.49Å | 1.55Å | |
| C19 | N09 | sing | 1.48Å | 1.57Å | |
| C17 | O18 | doub | 1.22Å | 1.16Å | |
| N09 | C08 | sing | 1.38Å | 1.49Å | |
| C24 | C25 | doub | 1.38Å | 1.35Å | Aromatic |
| C24 | C23 | sing | 1.39Å | 1.50Å | Aromatic |
| C25 | C02 | sing | 1.39Å | 1.44Å | Aromatic |
| C08 | N20 | doub | 1.33Å | 1.26Å | Aromatic |
| C08 | C07 | sing | 1.40Å | 1.44Å | Aromatic |
| C23 | C07 | sing | 1.47Å | 1.51Å | Aromatic |
| C23 | C04 | doub | 1.40Å | 1.38Å | Aromatic |
| C02 | F01 | sing | 1.35Å | 1.37Å | |
| C02 | C03 | doub | 1.38Å | 1.40Å | Aromatic |
| N20 | C21 | sing | 1.32Å | 1.31Å | Aromatic |
| C07 | C06 | doub | 1.40Å | 1.36Å | Aromatic |
| C04 | C03 | sing | 1.39Å | 1.43Å | Aromatic |
| C04 | N05 | sing | 1.38Å | 1.35Å | Aromatic |
| C21 | N22 | doub | 1.32Å | 1.31Å | Aromatic |
| C06 | N05 | sing | 1.37Å | 1.38Å | Aromatic |
| C06 | N22 | sing | 1.33Å | 1.29Å | Aromatic |
| C15 | H151 | sing | 1.09Å | 1.10Å | |
| C15 | H152 | sing | 1.09Å | 1.10Å | |
| C14 | H142 | sing | 1.09Å | 1.10Å | |
| C14 | H141 | sing | 1.09Å | 1.10Å | |
| C12 | H121 | sing | 1.09Å | 1.10Å | |
| C11 | H112 | sing | 1.09Å | 1.10Å | |
| C11 | H111 | sing | 1.09Å | 1.10Å | |
| C10 | H102 | sing | 1.09Å | 1.10Å | |
| C10 | H101 | sing | 1.09Å | 1.10Å | |
| C19 | H191 | sing | 1.09Å | 1.10Å | |
| C19 | H192 | sing | 1.09Å | 1.10Å | |
| C03 | H031 | sing | 1.08Å | 1.08Å | |
| C21 | H211 | sing | 1.08Å | 1.08Å | |
| C24 | H241 | sing | 1.08Å | 1.08Å | |
| C25 | H251 | sing | 1.08Å | 1.08Å | |
| N05 | H051 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C15 | C14 | N13 | 107.2° | 103.8° |
| C14 | C15 | O16 | 106.8° | 104.0° |
| C14 | C15 | H151 | 110.1° | 110.6° |
| C14 | C15 | H152 | 110.2° | 110.6° |
| C15 | C14 | H142 | 110.1° | 110.5° |
| C15 | C14 | H141 | 110.0° | 110.6° |
| C14 | N13 | C12 | 124.5° | 125.6° |
| C14 | N13 | C17 | 107.0° | 108.8° |
| N13 | C14 | H142 | 110.1° | 110.6° |
| N13 | C14 | H141 | 110.0° | 110.6° |
| C15 | O16 | C17 | 107.0° | 109.5° |
| O16 | C15 | H151 | 110.1° | 110.5° |
| O16 | C15 | H152 | 110.1° | 110.5° |
| C12 | C11 | C10 | 102.4° | 102.9° |
| C11 | C12 | N13 | 107.8° | 110.3° |
| C11 | C12 | C19 | 104.2° | 105.2° |
| C11 | C12 | H121 | 108.2° | 110.4° |
| C12 | C11 | H112 | 111.2° | 110.7° |
| C12 | C11 | H111 | 111.2° | 110.7° |
| C11 | C10 | N09 | 104.7° | 103.2° |
| C10 | C11 | H112 | 111.2° | 110.7° |
| C10 | C11 | H111 | 111.2° | 110.7° |
| C11 | C10 | H102 | 110.6° | 110.7° |
| C11 | C10 | H101 | 110.6° | 110.6° |
| N13 | C12 | C19 | 114.5° | 110.3° |
| C12 | N13 | C17 | 128.4° | 125.6° |
| N13 | C12 | H121 | 109.7° | 110.3° |
| C12 | C19 | N09 | 107.6° | 107.0° |
| C19 | C12 | H121 | 112.0° | 110.3° |
| C12 | C19 | H191 | 110.0° | 109.9° |
| C12 | C19 | H192 | 109.9° | 109.9° |
| N13 | C17 | O16 | 107.9° | 113.9° |
| N13 | C17 | O18 | 127.3° | 123.0° |
| O16 | C17 | O18 | 124.8° | 123.1° |
| C10 | N09 | C19 | 101.2° | 105.9° |
| C10 | N09 | C08 | 124.9° | 111.0° |
| N09 | C10 | H102 | 110.7° | 110.7° |
| N09 | C10 | H101 | 110.6° | 110.7° |
| C19 | N09 | C08 | 120.5° | 111.0° |
| N09 | C19 | H191 | 109.9° | 109.9° |
| N09 | C19 | H192 | 109.9° | 110.0° |
| N09 | C08 | N20 | 115.3° | 120.8° |
| N09 | C08 | C07 | 124.4° | 120.8° |
| C25 | C24 | C23 | 121.0° | 119.8° |
| C24 | C25 | C02 | 120.7° | 120.2° |
| C25 | C24 | H241 | 119.5° | 120.1° |
| C24 | C25 | H251 | 119.7° | 119.9° |
| C24 | C23 | C07 | 137.5° | 133.7° |
| C24 | C23 | C04 | 117.1° | 120.1° |
| C23 | C24 | H241 | 119.5° | 120.1° |
| C25 | C02 | F01 | 120.6° | 119.7° |
| C25 | C02 | C03 | 119.0° | 120.5° |
| C02 | C25 | H251 | 119.7° | 119.9° |
| N20 | C08 | C07 | 120.3° | 118.5° |
| C08 | N20 | C21 | 120.8° | 120.9° |
| C08 | C07 | C23 | 139.0° | 134.7° |
| C08 | C07 | C06 | 115.8° | 118.7° |
| C07 | C23 | C04 | 105.4° | 106.2° |
| C23 | C07 | C06 | 105.2° | 106.6° |
| C23 | C04 | C03 | 121.5° | 119.4° |
| C23 | C04 | N05 | 109.6° | 108.4° |
| F01 | C02 | C03 | 120.4° | 119.8° |
| C02 | C03 | C04 | 120.7° | 120.0° |
| C02 | C03 | H031 | 119.7° | 120.0° |
| N20 | C21 | N22 | 121.4° | 122.6° |
| N20 | C21 | H211 | 119.3° | 118.7° |
| C07 | C06 | N05 | 109.6° | 108.4° |
| C07 | C06 | N22 | 120.0° | 118.4° |
| C03 | C04 | N05 | 128.8° | 132.3° |
| C04 | C03 | H031 | 119.7° | 120.0° |
| C04 | N05 | C06 | 110.2° | 110.4° |
| C04 | N05 | H051 | 124.9° | 124.8° |
| C21 | N22 | C06 | 121.8° | 120.8° |
| N22 | C21 | H211 | 119.3° | 118.7° |
| N05 | C06 | N22 | 130.5° | 133.1° |
| C06 | N05 | H051 | 124.9° | 124.8° |
| H151 | C15 | H152 | 109.5° | 110.5° |
| H142 | C14 | H141 | 109.5° | 110.6° |
| H112 | C11 | H111 | 109.4° | 110.8° |
| H102 | C10 | H101 | 109.5° | 110.7° |
| H191 | C19 | H192 | 109.5° | 110.1° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C15 | C14 | N13 | H142 | 119.7° | 118.6° |
| C15 | C14 | N13 | H141 | 119.6° | 118.6° |
| C14 | C15 | O16 | H151 | 119.6° | 118.7° |
| C14 | C15 | O16 | H152 | 119.6° | 118.7° |
| C15 | C14 | N13 | C12 | 169.3° | 179.8° |
| C15 | C14 | N13 | C17 | 10.5° | 0.2° |
| C14 | C15 | O16 | C17 | 20.2° | 0.1° |
| C14 | C15 | H151 | H152 | 121.3° | 122.8° |
| C15 | C14 | H142 | H141 | 121.1° | 122.8° |
| N13 | C14 | C15 | O16 | 19.5° | 0.0° |
| C14 | N13 | C12 | C11 | 69.6° | 54.2° |
| C14 | N13 | C12 | C17 | 179.8° | 180.0° |
| C14 | N13 | C12 | C19 | 175.0° | 61.6° |
| C14 | N13 | C17 | O16 | 1.6° | 0.3° |
| C14 | N13 | C17 | O18 | 178.1° | 180.0° |
| N13 | C14 | C15 | H151 | 100.0° | 118.6° |
| N13 | C14 | C15 | H152 | 139.1° | 118.6° |
| N13 | C14 | H142 | H141 | 121.1° | 122.8° |
| C14 | N13 | C12 | H121 | 48.0° | 176.4° |
| C15 | O16 | C17 | N13 | 14.0° | 0.3° |
| C15 | O16 | C17 | O18 | 165.7° | 180.0° |
| O16 | C15 | H151 | H152 | 121.2° | 122.6° |
| O16 | C15 | C14 | H142 | 100.1° | 118.6° |
| O16 | C15 | C14 | H141 | 139.2° | 118.6° |
| C12 | C11 | C10 | H112 | 118.9° | 118.4° |
| C12 | C11 | C10 | H111 | 118.9° | 118.3° |
| C11 | C12 | N13 | C19 | 115.4° | 115.7° |
| C11 | C12 | N13 | H121 | 117.6° | 122.2° |
| C11 | C12 | C19 | H121 | 116.7° | 119.0° |
| C11 | C12 | N13 | C17 | 110.2° | 125.9° |
| C12 | C11 | C10 | N09 | 43.3° | 37.4° |
| C11 | C12 | C19 | N09 | 21.3° | 1.2° |
| C12 | C11 | H112 | H111 | 123.3° | 123.3° |
| C12 | C11 | C10 | H102 | 162.5° | 155.9° |
| C12 | C11 | C10 | H101 | 75.9° | 81.0° |
| C11 | C12 | C19 | H191 | 141.0° | 118.1° |
| C11 | C12 | C19 | H192 | 98.3° | 120.6° |
| C10 | C11 | C12 | N13 | 79.3° | 97.0° |
| C10 | C11 | C12 | C19 | 42.8° | 22.0° |
| C11 | C10 | N09 | H102 | 119.2° | 118.5° |
| C11 | C10 | N09 | H101 | 119.2° | 118.4° |
| C11 | C10 | N09 | C19 | 30.9° | 39.2° |
| C11 | C10 | N09 | C08 | 171.2° | 159.8° |
| C10 | C11 | C12 | H121 | 162.1° | 140.9° |
| C10 | C11 | H112 | H111 | 123.3° | 123.2° |
| C11 | C10 | H102 | H101 | 122.2° | 123.1° |
| N13 | C12 | C19 | H121 | 125.8° | 122.0° |
| C12 | N13 | C17 | O16 | 178.6° | 179.7° |
| N13 | C12 | C19 | N09 | 96.1° | 120.1° |
| C12 | N13 | C17 | O18 | 1.7° | 0.0° |
| C12 | N13 | C14 | H142 | 71.1° | 61.3° |
| C12 | N13 | C14 | H141 | 49.6° | 61.5° |
| N13 | C12 | C11 | H112 | 161.9° | 144.7° |
| N13 | C12 | C11 | H111 | 39.6° | 21.3° |
| N13 | C12 | C19 | H191 | 23.6° | 0.8° |
| N13 | C12 | C19 | H192 | 144.2° | 120.4° |
| C19 | C12 | N13 | C17 | 5.3° | 118.4° |
| C12 | C19 | N09 | C10 | 2.5° | 25.3° |
| C12 | C19 | N09 | H191 | 119.7° | 119.3° |
| C12 | C19 | N09 | H192 | 119.7° | 119.4° |
| C12 | C19 | N09 | C08 | 145.0° | 145.8° |
| C19 | C12 | C11 | H112 | 76.1° | 96.4° |
| C19 | C12 | C11 | H111 | 161.7° | 140.3° |
| C12 | C19 | H191 | H192 | 120.9° | 121.2° |
| N13 | C17 | O16 | O18 | 179.7° | 179.7° |
| C17 | N13 | C14 | H142 | 109.1° | 118.7° |
| C17 | N13 | C14 | H141 | 130.2° | 118.4° |
| C17 | N13 | C12 | H121 | 132.2° | 3.6° |
| C17 | O16 | C15 | H151 | 99.4° | 118.6° |
| C17 | O16 | C15 | H152 | 139.8° | 118.8° |
| C10 | N09 | C19 | C08 | 142.5° | 120.5° |
| C10 | N09 | C08 | N20 | 156.6° | 56.9° |
| C10 | N09 | C08 | C07 | 23.2° | 123.2° |
| N09 | C10 | C11 | H112 | 75.6° | 81.0° |
| N09 | C10 | C11 | H111 | 162.1° | 155.7° |
| N09 | C10 | H102 | H101 | 122.2° | 123.1° |
| C10 | N09 | C19 | H191 | 117.2° | 94.0° |
| C10 | N09 | C19 | H192 | 122.2° | 144.7° |
| C19 | N09 | C08 | N20 | 23.3° | 60.6° |
| C19 | N09 | C08 | C07 | 156.4° | 119.3° |
| N09 | C19 | C12 | H121 | 138.1° | 117.8° |
| C19 | N09 | C10 | H102 | 150.2° | 157.6° |
| C19 | N09 | C10 | H101 | 88.3° | 79.2° |
| N09 | C19 | H191 | H192 | 120.9° | 121.3° |
| N09 | C08 | N20 | C07 | 179.8° | 179.9° |
| N09 | C08 | C07 | C23 | 0.2° | 0.1° |
| N09 | C08 | N20 | C21 | 179.2° | 179.9° |
| N09 | C08 | C07 | C06 | 179.3° | 180.0° |
| C08 | N09 | C10 | H102 | 69.6° | 81.8° |
| C08 | N09 | C10 | H101 | 51.9° | 41.4° |
| C08 | N09 | C19 | H191 | 25.3° | 26.5° |
| C08 | N09 | C19 | H192 | 95.3° | 94.8° |
| C25 | C24 | C23 | H241 | 180.0° | 179.5° |
| C24 | C25 | C02 | H251 | 180.0° | 179.4° |
| C25 | C24 | C23 | C07 | 179.8° | 179.7° |
| C25 | C24 | C23 | C04 | 0.1° | 0.3° |
| C24 | C25 | C02 | F01 | 179.9° | 179.7° |
| C24 | C25 | C02 | C03 | 0.3° | 0.6° |
| C23 | C24 | C25 | C02 | 0.3° | 0.6° |
| C24 | C23 | C07 | C08 | 0.5° | 0.0° |
| C24 | C23 | C07 | C04 | 179.8° | 180.0° |
| C24 | C23 | C07 | C06 | 179.9° | 180.0° |
| C24 | C23 | C04 | C03 | 0.1° | 0.0° |
| C24 | C23 | C04 | N05 | 179.9° | 180.0° |
| C23 | C24 | C25 | H251 | 179.8° | 180.0° |
| C25 | C02 | F01 | C03 | 179.8° | 179.7° |
| C25 | C02 | C03 | C04 | 0.1° | 0.3° |
| C25 | C02 | C03 | H031 | 179.9° | 179.8° |
| C02 | C25 | C24 | H241 | 179.7° | 180.0° |
| N20 | C08 | C07 | C23 | 179.9° | 180.0° |
| N20 | C08 | C07 | C06 | 0.4° | 0.0° |
| C08 | N20 | C21 | N22 | 0.2° | 0.0° |
| C08 | N20 | C21 | H211 | 179.8° | 180.0° |
| C08 | C07 | C23 | C06 | 179.5° | 180.0° |
| C08 | C07 | C23 | C04 | 179.6° | 180.0° |
| C07 | C08 | N20 | C21 | 0.5° | 0.0° |
| C08 | C07 | C06 | N05 | 179.6° | 180.0° |
| C08 | C07 | C06 | N22 | 0.1° | 0.0° |
| C07 | C23 | C04 | C03 | 180.0° | 180.0° |
| C07 | C23 | C04 | N05 | 0.2° | 0.0° |
| C23 | C07 | C06 | N05 | 0.0° | 0.0° |
| C23 | C07 | C06 | N22 | 179.7° | 180.0° |
| C07 | C23 | C24 | H241 | 0.3° | 0.3° |
| C23 | C04 | C03 | C02 | 0.1° | 0.0° |
| C04 | C23 | C07 | C06 | 0.1° | 0.0° |
| C23 | C04 | C03 | N05 | 179.8° | 180.0° |
| C23 | C04 | N05 | C06 | 0.2° | 0.0° |
| C23 | C04 | C03 | H031 | 179.9° | 180.0° |
| C04 | C23 | C24 | H241 | 179.9° | 179.7° |
| C23 | C04 | N05 | H051 | 179.8° | 180.0° |
| F01 | C02 | C03 | C04 | 179.9° | 180.0° |
| F01 | C02 | C03 | H031 | 0.1° | 0.1° |
| F01 | C02 | C25 | H251 | 0.1° | 0.3° |
| C02 | C03 | C04 | H031 | 180.0° | 179.9° |
| C02 | C03 | C04 | N05 | 179.9° | 180.0° |
| C03 | C02 | C25 | H251 | 179.7° | 180.0° |
| N20 | C21 | N22 | H211 | 180.0° | 179.9° |
| N20 | C21 | N22 | C06 | 0.2° | 0.1° |
| C07 | C06 | N05 | C04 | 0.1° | 0.0° |
| C07 | C06 | N22 | C21 | 0.3° | 0.0° |
| C07 | C06 | N05 | N22 | 179.6° | 180.0° |
| C07 | C06 | N05 | H051 | 179.8° | 180.0° |
| C03 | C04 | N05 | C06 | 180.0° | 180.0° |
| C03 | C04 | N05 | H051 | 0.0° | 0.0° |
| C04 | N05 | C06 | H051 | 180.0° | 180.0° |
| C04 | N05 | C06 | N22 | 179.8° | 180.0° |
| N05 | C04 | C03 | H031 | 0.1° | 0.1° |
| C21 | N22 | C06 | N05 | 179.9° | 179.9° |
| C06 | N22 | C21 | H211 | 179.8° | 180.0° |
| N22 | C06 | N05 | H051 | 0.2° | 0.0° |
| H151 | C15 | C14 | H142 | 140.3° | 122.8° |
| H151 | C15 | C14 | H141 | 19.6° | 0.0° |
| H152 | C15 | C14 | H142 | 19.5° | 0.0° |
| H152 | C15 | C14 | H141 | 101.3° | 122.8° |
| H121 | C12 | C11 | H112 | 43.3° | 22.6° |
| H121 | C12 | C11 | H111 | 79.0° | 100.8° |
| H121 | C12 | C19 | H191 | 102.2° | 122.8° |
| H121 | C12 | C19 | H192 | 18.4° | 1.6° |
| H112 | C11 | C10 | H102 | 43.7° | 37.5° |
| H112 | C11 | C10 | H101 | 165.2° | 160.6° |
| H111 | C11 | C10 | H102 | 78.6° | 85.8° |
| H111 | C11 | C10 | H101 | 42.9° | 37.3° |
| H241 | C24 | C25 | H251 | 0.3° | 0.5° |
